(2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]-4-(methylthio)butyrate Formula: C17H23N2O5S2- MolecularWeight: 399.50492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H24N2O5S2/c1-12-5-6-13(26(23,24)19-8-3-4-9-19)11-14(12)16(20)18-15(17(21)22)7-10-25-2/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,18,20)(H,21,22)/p-1/t15-/m0/s1